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DIASTEREOMER-#1
SpectraBase Compound ID DsJw3b6tUfj
InChI InChI=1S/C55H52ClN3O10.2O.U/c56-39-20-21-46(60)45(32-39)59-55(63)42-31-36-10-2-4-14-41(36)51-50-40-13-3-1-9-35(40)19-22-47(50)66-27-23-64-24-28-67-48-17-7-11-37(52(48)61)33-57-43-15-5-6-16-44(43)58-34-38-12-8-18-49(53(38)62)68-29-25-65-26-30-69-54(42)51;;;/h1-4,7-14,17-22,31-34,43-44,60-62H,5-6,15-16,23-30H2,(H,59,63);;;
InChIKey OVUUTMHBSLGDPA-UHFFFAOYSA-N
Mol Weight 1220.5 g/mol
Molecular Formula C55H52ClN3O12U
Exact Mass 1219.374742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6hQPsg4zkD
Name DIASTEREOMER-#2
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H52ClN3O12U
InChI InChI=1S/C55H52ClN3O10.2O.U/c56-39-20-21-46(60)45(32-39)59-55(63)42-31-36-10-2-4-14-41(36)51-50-40-13-3-1-9-35(40)19-22-47(50)66-27-23-64-24-28-67-48-17-7-11-37(52(48)61)33-57-43-15-5-6-16-44(43)58-34-38-12-8-18-49(53(38)62)68-29-25-65-26-30-69-54(42)51;;;/h1-4,7-14,17-22,31-34,43-44,60-62H,5-6,15-16,23-30H2,(H,59,63);;;
InChIKey OVUUTMHBSLGDPA-UHFFFAOYSA-N
Literature Reference Author A.M.REICHWEIN,W.VERBOOM,D.N.REINHOUDT
Literature Reference Citation REC.TR.CH.P.-B.,112,595(1993)
Literature Reference DOI 10.1002/recl.19931121106
Molecular Weight 1220.513 g/mol
Solvent DMSO-D6
Source File Reference UWTS2516